PCIDB

KNApSAcK Metabolite C00005621

Metabolite

KNApSAcK Entry

id C00005621
Name Dillenetin 3,7-diglucoside / Quercetin 3',4'-dimethyl ether 3,7-diglucoside / 2-(3,4-Dimethoxyphenyl)-3,7-bis(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one
CAS RN 141852-52-0
Standard InChI InChI=1S/C29H34O17/c1-40-13-4-3-10(5-14(13)41-2)26-27(46-29-25(39)23(37)20(34)17(9-31)45-29)21(35)18-12(32)6-11(7-15(18)43-26)42-28-24(38)22(36)19(33)16(8-30)44-28/h3-7,16-17,19-20,22-25,28-34,36-39H,8-9H2,1-2H3/t16?,17?,19-,20-,22+,23?,24?,25?,28-,29+/m1/s1
Standard InChI (Main Layer) InChI=1S/C29H34O17/c1-40-13-4-3-10(5-14(13)41-2)26-27(46-29-25(39)23(37)20(34)17(9-31)45-29)21(35)18-12(32)6-11(7-15(18)43-26)42-28-24(38)22(36)19(33)16(8-30)44-28/h3-7,16-17,19-20,22-25,28-34,36-39H,8-9H2,1-2H3

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 1

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Lamiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Calamintha grandiflora 260592 Lamiaceae asterids Viridiplantae